N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D026-0004 |
| Compound Name: | N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 461.57 |
| Molecular Formula: | C22 H19 N7 O S2 |
| Smiles: | Cc1ccc(cc1)C1CSC(NC(CSc2nc3c(c4ccccc4n3C)nn2)=O)=NN=1 |
| Stereo: | ACHIRAL |
| logP: | 3.9079 |
| logD: | 3.9069 |
| logSw: | -3.978 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.621 |
| InChI Key: | VGVCRIXBBPXDMO-UHFFFAOYSA-N |